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2 similar compounds to monomer 10890

Compile data set for download or QSAR
Wt: 336.7
BDBM50120462
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Wt: 369.8
BDBM50160670

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50120462,50160670   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50160670
PNG
(CHEMBL182723 | N-(3-Chloro-1H-indol-7-yl)-4-sulfin...)
Show SMILES NS(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1/C14H12ClN3O3S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-23(20,21)10-6-4-9(5-7-10)22(16)19/h1-8,17-18H,16H2
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Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Ki value against human carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 963-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.053
BindingDB Entry DOI: 10.7270/Q29887RZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50160670
PNG
(CHEMBL182723 | N-(3-Chloro-1H-indol-7-yl)-4-sulfin...)
Show SMILES NS(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1/C14H12ClN3O3S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-23(20,21)10-6-4-9(5-7-10)22(16)19/h1-8,17-18H,16H2
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Ki value against human carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 963-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.053
BindingDB Entry DOI: 10.7270/Q29887RZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50160670
PNG
(CHEMBL182723 | N-(3-Chloro-1H-indol-7-yl)-4-sulfin...)
Show SMILES NS(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1/C14H12ClN3O3S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-23(20,21)10-6-4-9(5-7-10)22(16)19/h1-8,17-18H,16H2
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31n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Ki value against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 15: 963-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.053
BindingDB Entry DOI: 10.7270/Q29887RZ
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50120462
PNG
(CHEMBL20289 | N-(3-Chloro-1H-indol-7-yl)-4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C15H13ClN2O3S/c1-21-10-5-7-11(8-6-10)22(19,20)18-14-4-2-3-12-13(16)9-17-15(12)14/h2-9,17-18H,1H3
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1.40E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against tubulin from goat brain relative to colchicine


J Med Chem 48: 547-55 (2005)


Article DOI: 10.1021/jm0494974
BindingDB Entry DOI: 10.7270/Q2M32V7G
More data for this
Ligand-Target Pair